Chemical Properties of Pentanoic acid, 4-methyl, 2-methylpropyl ester (CAS 25415-70-7)

Pentanoic acid, 4-methyl, 2-methylpropyl ester

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InChI
InChI=1S/C10H20O2/c1-8(2)5-6-10(11)12-7-9(3)4/h8-9H,5-7H2,1-4H3
InChI Key
KCLPHAFBBIUUNI-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CC(C)CCC(=O)OCC(C)C
Molecular Weight1
172.26
CAS
25415-70-7
Other Names
  • 2-methylpropyl 4-methylpentanoate
  • Isobutyl isohexanoate
Sources

Physical Properties

Property Value Unit Source
Δf -205.48 kJ/mol Joback Calculated Property
Δfgas -505.09 kJ/mol Joback Calculated Property
Δfus 17.40 kJ/mol Joback Calculated Property
Δvap 46.23 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 2233.41 kPa Joback Calculated Property
Tboil 503.61 K Joback Calculated Property
Tc 682.96 K Joback Calculated Property
Tfus 244.62 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.51 J/mol×K 503.61 Joback Calculated Property
η 0.00 Pa×s 503.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 2
-CH2- 3
>C=O (nonring) 1
-CH3 4

Similar Compounds

Pentanoic acid, 4-methyl, propyl ester. Pentanoic acid, 2-methylpropyl ester. Pentanoic acid, 4-methyl, butyl ester. Ethyl isocaproate. 4-Methylpentyl 4-methylpentanoate. Pentanoic acid, 4-methyl-, pentyl ester. Hexanoic acid, 2-methylpropyl ester. Pentanoic acid, 4-methyl, 3-methylbutyl ester. Hexyl isohexanoate. Valeric acid, 2,2-dimethylpropyl ester. Pentanoic acid, 2-methylbutyl ester. Sebacic acid, isobutyl isohexyl ester. Glutaric acid, isobutyl isohexyl ester. Heptanoic acid, 2-methylpropyl ester. Pimelic acid, di(2-methylpropyl) ester.

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